Topology <i>versus</i> porosity: what can reticular chemistry tell us about free space in metal–organic frameworks?
Alexander P. Shevchenko, Eugeny V. Alexandrov, Andrey A. Golov, Olga A. Blatova, Alexandra S. Duyunova, Vladislav A. Blatov
Abstract
We present the results of a comprehensive geometrical and topological analysis of 3D coordination networks in 33 790 coordination polymers. We have found relations between topological descriptors and free space of the networks, and have revealed topological types that promote high porosity of metal-organic frameworks.
Topics & Concepts
PorosityReticular connective tissueTopology (electrical circuits)Metal-organic frameworkPolymerCoordination polymerChemistrySpace (punctuation)NanotechnologyChemical engineeringMaterials scienceOrganic chemistryComputer scienceEngineeringAdsorptionAnatomyElectrical engineeringMedicineOperating systemMetal-Organic Frameworks: Synthesis and ApplicationsCrystallography and molecular interactionsMolecular Sensors and Ion Detection